Rasulev Research Group

Welcome to the Computational Polymer Science and Cheminformatics Group

The group of Prof. Rasulev is focused on development of artificial intelligence (AI)-based predictive models to design novel bio-based polymeric materials, nanomaterials and to predict their various properties, including toxicity, solubility, elasticity, degradation rate, etc. The group applies computational chemistry, machine learning and cheminformatics methods for modeling, data analysis and development of predictive structure-property relationship models to find structural factors responsible for activity of investigated materials.

The group is also involved in development of a materials database, which will be useful in designing new polymeric materials, nanomaterials and hybrid/composite materials, as well as assist in prediction of various physico-chemical properties, biological activity, including toxicity and degradation pathways for life cycle assessment.

Our achievements

Our team

Chameli Samarawickrema
Angel Gallegos
Achiya Khanam
Mariam Zamani
Amirreza Daghighi
Troy Timmerman
Kristen Patnode
Kweeni Iduoku
Meade E
Anas K
Prof. Bakhtiyor Rasulev
Dr. Gerardo Casanola-Martin

Our news from twitter

Tweets by Prof. Rasulev